2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H11BrClN3O — CID 103479249

IUPAC2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNc2cccc(Cl)c2Br)nc2ccccn12
InChIInChI=1S/C15H11BrClN3O/c16-15-11(17)4-3-5-12(15)18-9-10-8-14(21)20-7-2-1-6-13(20)19-10/h1-8,18H,9H2
InChIKeyYJROVKURJIDNAD-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 103479249) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID103479249
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC Name2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNc2cccc(Cl)c2Br)nc2ccccn12
InChIInChI=1S/C15H11BrClN3O/c16-15-11(17)4-3-5-12(15)18-9-10-8-14(21)20-7-2-1-6-13(20)19-10/h1-8,18H,9H2
InChIKeyYJROVKURJIDNAD-UHFFFAOYSA-N
XLogP3.72
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 103479249) is 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNc2cccc(Cl)c2Br)nc2ccccn12.
What is the InChIKey of 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YJROVKURJIDNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c16-15-11(17)4-3-5-12(15)18-9-10-8-14(21)20-7-2-1-6-13(20)19-10/h1-8,18H,9H2.
What are the key properties of 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.63 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103479249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).